Search Results for author:
Found 8 papers, 5 papers with code
MolX: Enhancing Large Language Models for Molecular Learning with A Multi-Modal Extension
Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding.
Are we making much progress? Revisiting chemical reaction yield prediction from an imbalanced regression perspective
The yield of a chemical reaction quantifies the percentage of the target product formed in relation to the reactants consumed during the chemical reaction.
Large Language Model based Multi-Agents: A Survey of Progress and Challenges
To provide the community with an overview of this dynamic field, we present this survey to offer an in-depth discussion on the essential aspects of multi-agent systems based on LLMs, as well as the challenges.
Beyond the Typical: Modeling Rare Plausible Patterns in Chemical Reactions by Leveraging Sequential Mixture-of-Experts
Reaction prediction, a critical task in synthetic chemistry, is to predict the outcome of a reaction based on given reactants.
Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks
Molecular Representation Learning (MRL) has proven impactful in numerous biochemical applications such as drug discovery and enzyme design.
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
In this paper, rather than pursuing state-of-the-art performance, we aim to evaluate capabilities of LLMs in a wide range of tasks across the chemistry domain.
Graph-based Molecular Representation Learning
Recently, MRL has achieved considerable progress, especially in methods based on deep molecular graph learning.
Ranked #25 on
Molecule Captioning
on ChEBI-20
Few-Shot Graph Learning for Molecular Property Prediction
The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery.
Ranked #1 on
Molecular Property Prediction (1-shot))
on Tox21
